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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1H-benzimidazol-2-ylmethyl)-L-valinamide

Catalog ID
STL541973
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCc1nc2c([nH]1)cccc2)C(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C34H39N5O6 MW 613.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O6/c1-18(2)31(34(42)35-17-29-37-24-9-7-8-10-25(24)38-29)39-26-14-12-21-22(16-27(26)41)23(36-19(3)40)13-11-20-15-28(43-4)32(44-5)33(45-6)30(20)21/h7-10,12,14-16,18,23,31H,11,13,17H2,1-6H3,(H,35,42)(H,36,40)(H,37,38)(H,39,41)/t23-,31-/m0/s1
InChIKey
ZJOLUJLGHOXELW-FWUCURJTSA-N
Synonyms
1574351-27-1
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)benzimidazol2ylmethyl)3methylbutanamide
(S)N((1Hbenzo(d)imidazol2yl)methyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
1574351271
75491018
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCc1nc2c((nH)1)cccc2)C(C)C
InChI=1SC34H39N5O6c118(2)31(34(42)35172937249781025(24)3829)392614122122(1627(26)41)23(3619(3)40)1311201528(434)32(445)33(456)30(20)21h710121416182331H111317H216H3(H3542)(H3640)(H3738)(H3941)t2331m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1Hbenzimidazol2ylmethyl)Lvalinamide
ZINC000108447474
ZINC108447474

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Available files

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